N-Acetyl-l-alanine | SBID = 738 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 66.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 101.1 | ||
| Sum Formula: | C5H9NO3 | ||
| M / g/mol: | 131.13 | ||
| Complexity: | 132.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags: aminoacid derivative
- Name: N-Acetyl-l-alanine
- Preferred Abbreviation: N-Acetyl-l-alanine
- IUPAC Name: (2S)-2-acetamidopropanoic acid
- CAS: 97-69-8
- CID: 88064
- InChiKey: KTHDTJVBEPMMGL-VKHMYHEASA-N
- InChi: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
- CanoSmiles: CC(C(=O)O)NC(=O)C
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)C
